Multidimensional replica-exchange method for free-energy calculations (Q57906232)

Replica Monte Carlo simulation of spin glasses.

21 January 2018

1 reference

Prediction of peptide conformation by multicanonical algorithm: New approach to the multiple-minima problem

21 January 2018

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Comparative study of multicanonical and simulated annealing algorithms in the protein folding problem

21 January 2018

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Thermodynamics of Helix-Coil Transitions Studied by Multicanonical Algorithms

21 January 2018

1 reference

Enhanced conformational sampling in Monte Carlo simulations of proteins: application to a constrained peptide

21 January 2018

1 reference

On the origin of the cooperativity of protein folding: implications from model simulations

21 January 2018

1 reference

Molecular dynamics, Langevin and hydrid Monte Carlo simulations in a multicanonical ensemble

21 January 2018

1 reference

Probability Distributions for Complex Systems: Adaptive Umbrella Sampling of the Potential Energy

21 January 2018

1 reference

Conformational sampling of CDR-H3 in antibodies by multicanonical molecular dynamics simulation.

21 January 2018

1 reference

Solution conformations and thermodynamics of structured peptides: molecular dynamics simulation with an implicit solvation model.

21 January 2018

1 reference

Characterization of flexible molecules in solution: the RGDW peptide.

21 January 2018

1 reference

Effects of Side-Chain Charges on α-Helix Stability in C-Peptide of Ribonuclease A Studied by Multicanonical Algorithm

21 January 2018

1 reference

Helix-coil transitions of amino-acid homo-oligomers in aqueous solution studied by multicanonical simulations

21 January 2018

1 reference

Monte Carlo simulations in generalized ensemble: Multicanonical algorithm versus simulated tempering.

21 January 2018

1 reference

A biased Monte Carlo scheme for zeolite structure solution

21 January 2018

1 reference

Replica-exchange molecular dynamics method for protein folding

21 January 2018

1 reference

Replica-exchange molecular dynamics simulation for supercooled liquids

21 January 2018

1 reference

Dynamical theory of activated processes in globular proteins

21 January 2018

1 reference

Dependence of protein stability on the structure of the denatured state: free energy calculations of I56V mutation in human lysozyme

21 January 2018

1 reference

Equation of State Calculations by Fast Computing Machines

21 January 2018

1 reference

An all atom force field for simulations of proteins and nucleic acids

21 January 2018

1 reference